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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2315235
CHEMBL2315235
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C45H52F3N9O8S

Additional synonyms for CHEMBL2315235 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N[C@ ...
Download SMILES
Standard InChI InChI=1S/C43H51N9O6S.C2HF3O2/c1-28-24-52-26-40(54)48-36-18-1 ...
Download InChI
Standard InChI Key ILXNFZFJPGWGAV-YBMCEFHMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2315235

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
822 821.3683 2.33 8 218.92 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 7 2 15 8 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.55 11.6 2.44 .42 4 59 0.1

Structural Alerts

There are 6 structural alerts for CHEMBL2315235. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ILXNFZFJPGWGAV-YBMCEFHMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2315235



PubChem 71717373

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ILXNFZFJPGWGAV-YBMCEFHMSA-N spacer
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